Scholarlink

<p>In response to the increasing demand for high-efficiency photovoltaic materials in renewable energy technologies, this study explores a series of novel nitro-functionalized terrylenediimide (TDI) sensitizers exhibiting enhanced charge transport behavior. Nitro substituents were strategically introduced at the bay positions of the TDI molecular framework to modulate photoinduced exciton dynamics, yielding three distinct derivatives TDI-1NO<sub>2</sub>, TDI-2NO<sub>2</sub>, and TDI-3NO<sub>2</sub>, recently characterized for their optoelectronic properties (<a href="https://doi.org/10.1021/acs.jpcc.5c02980">https://doi.org/10.1021/acs.jpcc.5c02980</a>). Building on these promising findings, we propose the integration of these nitrated TDI derivatives into dye-sensitized solar cells (DSSCs), investigating their favorable charge transport characteristics. A comprehensive density functional theory calculation was conducted to evaluate their structural, electronic, optical, and transport properties. The results indicate that all three derivatives adopt planar conformations, exhibit well-aligned energy levels with the TiO<sub>2</sub> conduction band, and possess high open-circuit voltage (OCV) alongside a high injection rate (2.22 × 10<sup>15</sup>&#xa0;s<sup>−1</sup> for TDI-3NO<sub>2</sub> derivative), attributes that collectively position them as promising candidates for DSSC technology. This investigation thus provides deep insight into the continued development and optimization of nitrated terrylenediimide-based sensitizers for advanced solar energy systems.</p> Graphical Abstract <p></p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Fine-Tuning of Charge-Transport Properties of Terrylenediimide-Based Sensitizers for Dye-Sensitized Solar Cells

  • 期刊论文

  • 发表日期：

    2026年5月19日

查看全文
  • Qamar Abuhassan,
  • Rima Heider Al Omari,
  • Narinderjit Singh Sawaran Singh,
  • Muktha Eti,
  • Tanmoy Prida,
  • S. Radhika,
  • Gaganjot Kaur,
  • Ahmed Aldulaimi,
  • Yusufbay Yusupov,
  • Sardor Sabirov,
  • Bekzod Matyakubov

摘要

In response to the increasing demand for high-efficiency photovoltaic materials in renewable energy technologies, this study explores a series of novel nitro-functionalized terrylenediimide (TDI) sensitizers exhibiting enhanced charge transport behavior. Nitro substituents were strategically introduced at the bay positions of the TDI molecular framework to modulate photoinduced exciton dynamics, yielding three distinct derivatives TDI-1NO2, TDI-2NO2, and TDI-3NO2, recently characterized for their optoelectronic properties (https://doi.org/10.1021/acs.jpcc.5c02980). Building on these promising findings, we propose the integration of these nitrated TDI derivatives into dye-sensitized solar cells (DSSCs), investigating their favorable charge transport characteristics. A comprehensive density functional theory calculation was conducted to evaluate their structural, electronic, optical, and transport properties. The results indicate that all three derivatives adopt planar conformations, exhibit well-aligned energy levels with the TiO2 conduction band, and possess high open-circuit voltage (OCV) alongside a high injection rate (2.22 × 1015 s−1 for TDI-3NO2 derivative), attributes that collectively position them as promising candidates for DSSC technology. This investigation thus provides deep insight into the continued development and optimization of nitrated terrylenediimide-based sensitizers for advanced solar energy systems.

Graphical Abstract